AG00F1DR

58123-72-1 | 3-Chloro-4-iodobenzoic acid

AG00F1DR

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CAS Number	58123-72-1
Catalog Number	AG00F1DR(AGN-PC-0232ZA)
Chemical Name	3-Chloro-4-iodobenzoic acid
IUPAC Name	3-chloro-4-iodobenzoic acid
InChI	InChI=1S/C7H4ClIO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H,10,11)
InChI Key	UTKNSLUWERDCPS-UHFFFAOYSA-N
MDL Number	MFCD06637386
Molecular Formula	C7H4ClIO2
Molecular Weight	282.4629
SMILES	O=C(O)C1=CC=C(I)C(Cl)=C1
Synonyms	3-Chloro-4-iodobenzoic acid, 58123-72-1, SCHEMBL9212477, KS-00000RI3, MFCD06637386, ZINC40571399, AKOS017559905, DS-8674, MCULE-8142055518, NE13292, AK174208, CS-0041182, X6546, Z1354602502, C7H4ClIO2,

Complexity	163
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	281.894g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	282.461g/mol
Monoisotopic Mass	281.894g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number